4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one

C20H14N6O2 — CID 166253991

IUPAC4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
SMILESO=c1cc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)c2ccccc2[nH]1
InChIInChI=1S/C20H14N6O2/c27-18-10-15(14-8-4-5-9-16(14)21-18)20-22-19(24-28-20)17-12-26(25-23-17)11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,21,27)
InChIKeyKTNPJKIOIYUMBM-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.88
Rot. Bonds4

About 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one

4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one (PubChem CID 166253991) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
PubChem CID166253991
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
SMILESO=c1cc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)c2ccccc2[nH]1
InChIInChI=1S/C20H14N6O2/c27-18-10-15(14-8-4-5-9-16(14)21-18)20-22-19(24-28-20)17-12-26(25-23-17)11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,21,27)
InChIKeyKTNPJKIOIYUMBM-UHFFFAOYSA-N
XLogP2.88
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The IUPAC name of 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one (CID 166253991) is 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one is O=c1cc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)c2ccccc2[nH]1.
What is the InChIKey of 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The InChIKey is KTNPJKIOIYUMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c27-18-10-15(14-8-4-5-9-16(14)21-18)20-22-19(24-28-20)17-12-26(25-23-17)11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,21,27).
What are the key properties of 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one has a molecular weight of 370.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one is sourced from PubChem (CID 166253991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).